N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | D009-0080 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-4-methylbenzamide |
| Molecular Weight: | 534.64 |
| Molecular Formula: | C27 H30 N6 O4 S |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)\C(NCCCn1ccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0861 |
| logD: | 0.5528 |
| logSw: | -2.696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.57 |
| InChI Key: | XMDNGOMJHINSOB-UHFFFAOYSA-N |